BDBM50066569 (7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-(1-methyl-1H-pyrrol-2-yl)-methanone::CHEMBL119720
SMILES: Cn1cccc1C(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C
InChI Key: InChIKey=ZAEMKGJZZJJJLD-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50066569 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human)) | BDBM50066569 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter & Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1) | J Med Chem 41: 3515-29 (1998) Article DOI: 10.1021/jm9802416 BindingDB Entry DOI: 10.7270/Q2V98763 | |||||||||||
More data for this Ligand-Target Pair |